Crystallography Open Database

Information card for entry 4001628

Preview

Coordinates	4001628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Co0.25 N Ni1.75 O11
Calculated formula	C18 H14 Co0.26 N Ni1.74 O11
Title of publication	Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units
Authors of publication	Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	2
Pages of publication	303
a	13.5186 ± 0.0006 Å
b	10.7685 ± 0.0005 Å
c	14.6323 ± 0.0007 Å
α	90°
β	110.63 ± 0.001°
γ	90°
Cell volume	1993.51 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0459
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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