Crystallography Open Database

Information card for entry 4501536

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Coordinates	4501536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H74 N48 Ni13 O38
Calculated formula	C72 H73.98 N48 Ni13 O37.98
Title of publication	A New Azido-Nickel Compound with Three-Dimensional Kagomé Topology
Authors of publication	Hu, Bo-Wen; Zhao, Jiong-Peng; Tao, Jun; Sun, Xiao-Jun; Yang, Qian; Zhang, Xiao-Feng; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	2829
a	27.414 ± 0.004 Å
b	27.414 ± 0.004 Å
c	11.908 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7750 ± 2 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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