Crystallography Open Database

Information card for entry 7114464

Preview

Coordinates	7114464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H43 N O5 P2 Si4 W
Calculated formula	C26 H43 N O5 P2 Si4 W
SMILES	[W]([P]1(P(C([Si](C)(C)C)[Si](C)(C)C)C(=N1)c1ccccc1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of the first 2,3-dihydro-1,2,3-azadiphosphete complex
Authors of publication	Ionescu, E.; Jones, P. G.; Streubel, R.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	19
Pages of publication	2204 - 2205
a	14.7253 ± 0.0008 Å
b	13.0428 ± 0.0008 Å
c	18.8621 ± 0.0012 Å
α	90°
β	97.072 ± 0.004°
γ	90°
Cell volume	3595.1 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
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	0.0476
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7114464.cif
180258	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/44.	7114464.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7114464.cif
116798	2014-06-13	cif/ Adding structures of 7114464 via cif-deposit CGI script.	7114464.cif