Crystallography Open Database

Information card for entry 2206695

2206694 << 2206695 >> 2206696

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206695.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-poly[[bis(1,10-phenanthroline)cadmium(II)]-μ-tetraoxomolybdato]
Formula	C24 H18 Cd Mo N4 O5
Calculated formula	C24 H18 Cd Mo N4 O5
SMILES	[Cd]12(O[Mo](=O)(=O)O[Cd]34(O[Mo](=O)(=O)[O-])([n]5cccc6ccc7ccc[n]3c7c56)[n]3cccc5ccc6ccc[n]4c6c35)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O
Title of publication	[Cd(phen)~2~{MoO~4~}]·H~2~O, a one-dimensional coordination polymer with bridging molybdate groups
Authors of publication	Xiuli Bai; Ying Lu; Enbo Wang
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1840 - m1842
a	13.901 ± 0.003 Å
b	15.37 ± 0.003 Å
c	10.742 ± 0.002 Å
α	90°
β	101.61 ± 0.03°
γ	90°
Cell volume	2248.2 ± 0.8 Å³
Cell temperature	283 ± 2 K
Ambient diffraction temperature	283 ± 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	0.0498
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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