Crystallography Open Database

Information card for entry 2206696

2206695 << 2206696 >> 2206697

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206696.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(benzimidazole-κN)bis(salicylato-κ^2^O,O')cadmium(II) monohydrate
Formula	C28 H24 Cd N4 O7
Calculated formula	C28 H24 Cd N4 O7
SMILES	[Cd]12(OC(=[O]1)c1c(O)cccc1)(OC(=[O]2)c1c(O)cccc1)([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12.O
Title of publication	Bis(benzimidazole-κ<i>N</i>)bis(salicylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) monohydrate
Authors of publication	Xiao-Du Fu; Dong-Dong Lin; Duan-Jun Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1823 - m1825
a	9.336 ± 0.003 Å
b	11.37 ± 0.003 Å
c	13.967 ± 0.004 Å
α	81.154 ± 0.004°
β	89.47 ± 0.004°
γ	69.204 ± 0.004°
Cell volume	1367.9 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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 all reflections	0.068
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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