Crystallography Open Database

Information card for entry 8102494

Preview

Coordinates	8102494.cif

Structure parameters

Formula	C17 H26.7 N6 Ni O8.35
Calculated formula	C17 H26.7 N6 Ni O8.35
Title of publication	Crystal structure of 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-tris(imidazole)nickel(II) — water (1:3.35), Ni(C8H8O5)(C3H4N2)3.·.3.35H2O
Authors of publication	Yan-Jun Wang; Yun-Yun Wang; Jie Feng; Qiu-Yue Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	549
a	8.2606 ± 0.0001 Å
b	12.5544 ± 0.0002 Å
c	12.6572 ± 0.0002 Å
α	109.355 ± 0.001°
β	104.554 ± 0.001°
γ	95.828 ± 0.001°
Cell volume	1173.9 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2078
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	8102494.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102494.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102494.cif
13233	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102494 via cif-deposit CGI script.	8102494.cif