Crystallography Open Database

Information card for entry 4312084

4312083 << 4312084 >> 4312085

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Structure parameters

Formula	C44 H90 Ge2 N10 O5 Si8
Calculated formula	C44 H90 Ge2 N10 O5 Si8
SMILES	[Ge]1(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N2N=C(OCCCCO[Ge](OC3=NN1C(=O)N3c1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C2=O)c1ccccc1
Title of publication	Synthesis of a Digermane-Containing Tricylic Nonadecadienedione Incorporating an Equivalent of Ring-Opened THF
Authors of publication	Amy C. Gottfried; Jia Wang; Erin E. Wilson; Larry W. Beck; Mark M. Banaszak Holl; Jeff W. Kampf
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7665 - 7670
a	11.496 ± 0.003 Å
b	28.227 ± 0.007 Å
c	19.713 ± 0.005 Å
α	90°
β	94.416 ± 0.005°
γ	90°
Cell volume	6378 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4312084.cif
179159	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20.	4312084.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312084.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312084.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4312084.cif
3589	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312084 via cif-deposit CGI script.	4312084.cif