Crystallography Open Database

Information card for entry 4103716

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Structure parameters

Formula	C36 H72 Cr N4
Calculated formula	C36 H72 Cr N4
Title of publication	Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes
Authors of publication	Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	18014 - 18016
a	16.4797 ± 0.0006 Å
b	15.5746 ± 0.0005 Å
c	15.3467 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3939 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4103716.cif
178783	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 4/10/37.	4103716.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103716.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103716.cif
26759	2011-09-25	../uploads/cif-deposit/cod/cif Adding structures of 4103716 via cif-deposit CGI script.	4103716.cif