Crystallography Open Database

Information card for entry 4336665

Preview

Coordinates	4336665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 Cu N O P3
Calculated formula	C31 H46 Cu N O P3
Title of publication	Noninnocent Behavior of Bidentate Amidophosphido [NP]2-Ligands upon Coordination to Copper
Authors of publication	Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12329 - 12331
a	9.7249 ± 0.0003 Å
b	19.2777 ± 0.0006 Å
c	17.1871 ± 0.0006 Å
α	90°
β	98.483 ± 0.002°
γ	90°
Cell volume	3186.88 ± 0.18 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
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	0.0674
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for all reflections	0.1154
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4336665.cif
102672	2014-02-21	cif/ Adding structures of 4336665 via cif-deposit CGI script.	4336665.cif