Crystallography Open Database

Information card for entry 7112934

Preview

Coordinates	7112934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H76 Cl6 Cu7 N20 O29
Calculated formula	C55 H68 Cl6 Cu7 N20 O29
Title of publication	Single-crystal-to-single-crystal structural transformations of two sandwich-like Cu(ii) pyrazolate complexes and their excellent catalytic performances in MMA polymerization.
Authors of publication	Li, Hong-Xi; Ren, Zhi-Gang; Liu, Dong; Chen, Yang; Lang, Jian-Ping; Cheng, Zhen-Ping; Zhu, Xiu-Lin; Abrahams, Brendan F.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	44
Pages of publication	8430 - 8432
a	13.717 ± 0.007 Å
b	14.32 ± 0.009 Å
c	14.657 ± 0.003 Å
α	62.48 ± 0.06°
β	62.25 ± 0.06°
γ	80.88 ± 0.08°
Cell volume	2254 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1939
Residual factor for significantly intense reflections	0.1357
Weighted residual factors for significantly intense reflections	0.3239
Weighted residual factors for all reflections included in the refinement	0.3702
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112934.cif
112169	2014-04-30	cif/ Adding structures of 7112931, 7112932, 7112933, 7112934 via cif-deposit CGI script.	7112934.cif