Crystallography Open Database

Information card for entry 7009976

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Structure parameters

Formula	C33 H46 N3 Re
Calculated formula	C33 H46 N3 Re
SMILES	[Re](C)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C)C
Title of publication	A systematic route to mixed imido complexes of rhenium
Authors of publication	Burrell, Anthony K.; Steedman, Andrew J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	15
Pages of publication	2501
a	9.3838 ± 0.0003 Å
b	39.3038 ± 0.0011 Å
c	9.1197 ± 0.0002 Å
α	90°
β	107.789 ± 0.001°
γ	90°
Cell volume	3202.7 ± 0.15 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7009976.cif
179803	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/99.	7009976.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009976.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009976.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009976.cif