Crystallography Open Database

Information card for entry 4107088

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Structure parameters

Formula	C46 H48 Cr2 N8
Calculated formula	C46 H48 Cr2 N8
Title of publication	Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds
Authors of publication	Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	18058 - 18061
a	10.3554 ± 0.0005 Å
b	12.125 ± 0.0006 Å
c	18.9776 ± 0.0009 Å
α	93.287 ± 0.002°
β	95.883 ± 0.002°
γ	110.272 ± 0.002°
Cell volume	2212.41 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4107088.cif
178816	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/70.	4107088.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107088.cif
54739	2012-04-29	cif/ Adding structures of 4107088 via cif-deposit CGI script.	4107088.cif