Crystallography Open Database

Information card for entry 8105502

Preview

Coordinates	8105502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Cd N2 O7
Calculated formula	C6 H8 Cd N2 O7
Title of publication	Crystal structure of catena-poly[diaqua(μ2-2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylato)cadmium(II)], C6H8CdN2O7
Authors of publication	Huang, Xiao-Ying; Sun, Shu-Xiang; Wang, Chuan-Qi; Yao, Pei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1489 - 1491
a	7.3428 ± 0.0015 Å
b	11.272 ± 0.002 Å
c	12.764 ± 0.004 Å
α	90°
β	118.73 ± 0.02°
γ	90°
Cell volume	926.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0271
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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