Crystallography Open Database

Information card for entry 8103197

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Coordinates	8103197.cif

Structure parameters

Formula	C14 H42 Cr N6 Ni O8
Calculated formula	C14 H42 Cr N6 Ni O8
Title of publication	Crystal structure of catena-(?2-chromato-O,O')-3,10-bis-n-propyl-1,3,5,8,10,12-hexaazacyclo-tetradecane-nickel(II) tetrahydrate, Ni(C14H34N6)(CrO4) • 4H2O
Authors of publication	Guang-Chuan Ou; Long-Sheng Zou; Zhi-Hui Yuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	543
a	10.507 ± 0.003 Å
b	10.72 ± 0.003 Å
c	12.222 ± 0.004 Å
α	89.232 ± 0.006°
β	70.67 ± 0.006°
γ	69.433 ± 0.005°
Cell volume	1208 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0721
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
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.	8103197.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.	8103197.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103197.cif
32539	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103197 via cif-deposit CGI script.	8103197.cif