Crystallography Open Database

Information card for entry 7112932

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Coordinates	7112932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H80 Cu7 N18 O32
Calculated formula	C48 H80 Cu7 N18 O32
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	18.778 ± 0.003 Å
b	18.778 ± 0.003 Å
c	35.187 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	10745 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.1839
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.194
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
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.	7112932.cif
112169	2014-04-30	cif/ Adding structures of 7112931, 7112932, 7112933, 7112934 via cif-deposit CGI script.	7112932.cif