Crystallography Open Database

Information card for entry 8102569

Preview

Coordinates	8102569.cif
External links	PubChem

Structure parameters

Chemical name	Bis[4-chloro-2-(iminomethyl)phenolato]-Nickel(II)
Formula	C14 H10 Cl2 N2 Ni O2
Calculated formula	C14 H10 Cl2 N2 Ni O2
Title of publication	Crystal structure of trans-bis[4-chloro-2-(iminomethyl)phenolato]nickel(II), Ni(C7H5ClNO)2
Authors of publication	Xin-Li Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	679
a	15.7423 ± 0.0016 Å
b	5.6915 ± 0.001 Å
c	7.8855 ± 0.0011 Å
α	90°
β	93.897 ± 0.001°
γ	90°
Cell volume	704.89 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8102569.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.	8102569.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102569.cif
13308	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102569 via cif-deposit CGI script.	8102569.cif