Crystallography Open Database

Information card for entry 4502197

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Coordinates	4502197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H72 Cd2 Cl2 Fe N12 O12
Calculated formula	C62 H72 Cd2 Cl2 Fe N12 O12
Title of publication	Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate
Authors of publication	Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2490
a	30.405 ± 0.006 Å
b	9.5438 ± 0.0019 Å
c	23.573 ± 0.005 Å
α	90°
β	90.9 ± 0.03°
γ	90°
Cell volume	6840 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0734
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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