Crystallography Open Database

Information card for entry 1558111

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Coordinates	1558111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H29 Cd2 N O12
Calculated formula	C32 H29 Cd2 N O12
Title of publication	Syntheses and Crystal Structures of Two Cadmium Methanetetrabenzoates Featured by Open Framework and Infinite Layers
Authors of publication	Harms, Sven; Köferstein, Roberto; Görls, Helmar; Robl, Christian
Journal of publication	Zeitschrift für anorganische und allgemeine Chemie
Year of publication	2019
Journal volume	645
Journal issue	14
Pages of publication	912
a	18.213 ± 0.0006 Å
b	21.7508 ± 0.0006 Å
c	12.6987 ± 0.0004 Å
α	90°
β	129.684 ± 0.001°
γ	90°
Cell volume	3871.4 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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