Crystallography Open Database

Information card for entry 7111660

Preview

Coordinates	7111660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H57 Cl2 N30 Ni4 O21.5
Calculated formula	C54 H42 Cl2 N30 Ni4 O21.5
Title of publication	Unexpected Ni(ii) and Cu(ii) polynuclear assemblies—a balance between ligand and metal ion coordination preferences
Authors of publication	Shuvaev, Kontantin V.; Tandon, Santokh S.; Dawe, Louise N.; Thompson, Laurence K.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4755 - 4757
a	41.051 ± 0.009 Å
b	9.569 ± 0.002 Å
c	19.109 ± 0.004 Å
α	90°
β	115.296 ± 0.003°
γ	90°
Cell volume	6787 ± 3 Å³
Cell temperature	138 ± 2 K
Ambient diffraction temperature	138 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2153
Weighted residual factors for all reflections included in the refinement	0.2352
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111660.cif
96720	2014-01-29	cif/ Adding structures of 7111660, 7111661, 7111662 via cif-deposit CGI script.	7111660.cif