Crystallography Open Database

Information card for entry 4315739

Preview

Coordinates	4315739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H68 Cu2 N2 O7 P4
Calculated formula	C76 H68 Cu2 N2 O7 P4
Title of publication	Characterization of A New Copper(I)-Nitrito Complex That Evolves Nitric Oxide
Authors of publication	Wan-Jung Chuang; I-Jung Lin; Hsing-Yin Chen; Yu-Lun Chang; Sodio C. N. Hsu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5377 - 5384
a	18.0326 ± 0.0004 Å
b	20.1099 ± 0.0004 Å
c	20.5 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7434 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n c n
Hall space group symbol	-P 2ab 2n
Residual factor for all reflections	0.1367
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2434
Weighted residual factors for all reflections included in the refinement	0.2701
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
179237 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/57.	4315739.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315739.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315739.cif
8899	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315739 via cif-deposit CGI script.	4315739.cif