Crystallography Open Database

Information card for entry 7016906

Preview

Coordinates	7016906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Cr N O3
Calculated formula	C15 H11 Cr N O3
SMILES	[Cr]12345([c]6([c]5([cH]4[cH]3[cH]2[cH]16)c1ccccc1)N)(C#[O])(C#[O])C#[O]
Title of publication	Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl.
Authors of publication	Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	37
Pages of publication	9439 - 9446
a	7.5427 ± 0.0005 Å
b	12.7303 ± 0.0009 Å
c	26.7851 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2571.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7016906.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016906.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016906.cif
28106	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016905, 7016906, 7016907, 7016908 via cif-deposit CGI script.	7016906.cif