Crystallography Open Database

Information card for entry 8102724

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Coordinates	8102724.cif

Structure parameters

Formula	C12 H34 Cl2 N6 Ni2 O14
Calculated formula	C12 H34 Cl2 N6 Ni2 O14
Title of publication	Crystal structure of [bis(diethylenetriamine-N1,N2,N3)]-(m-oxalato-O1,O2:O1',O2')-(dimethanol-O)dinickel(II) diperchlorate, [Ni2(C4H13N3)2(C2O4)(CH3OH)2](ClO4)2
Authors of publication	Hong Qiang; Yong Hou; Zhi-Yun Dong; Feng-Mei Nie
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	447
a	7.1239 ± 0.0001 Å
b	13.1635 ± 0.0002 Å
c	14.22 ± 0.0002 Å
α	90°
β	98.622 ± 0.001°
γ	90°
Cell volume	1318.42 ± 0.03 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102724.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102724.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102724.cif
13463	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102724 via cif-deposit CGI script.	8102724.cif