Crystallography Open Database

Information card for entry 4107347

Preview

Coordinates	4107347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H56 Cl13 Cu N7 O5
Calculated formula	C35 H56 Cl13 Cu N7 O5
Title of publication	Structural and Spectroscopic Characterization of Mononuclear Copper(I) Nitrosyl Complexes: End-on versus Side-on Coordination of NO to Copper(I)
Authors of publication	Kiyoshi Fujisawa; Akira Tateda; Yoshitaro Miyashita; Ken-ichi Okamoto; Florian Paulat; V. K. K. Praneeth; Anna Merkle; Nicolai Lehnert
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1205 - 1213
a	33.4238 ± 0.0017 Å
b	15.7109 ± 0.0005 Å
c	10.2231 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5368.3 ± 0.4 Å³
Cell temperature	183.1 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.462
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107347.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107347.cif
55012	2012-05-02	cif/ Adding structures of 4107347 via cif-deposit CGI script.	4107347.cif