Crystallography Open Database

Information card for entry 2012365

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Coordinates	2012365.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II)
Formula	C26 H22 Cd N2 S2
Calculated formula	C26 H22 Cd N2 S2
SMILES	[Cd]1(Sc2ccccc2)(Sc2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
Title of publication	Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)
Authors of publication	Wacholtz, William F.; Mague, Joel T.
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	12
Pages of publication	1400 - 1402
a	14.164 ± 0.002 Å
b	12.034 ± 0.002 Å
c	27.648 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4712.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1275
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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