Crystallography Open Database

Information card for entry 7207326

7207325 << 7207326 >> 7207327

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Coordinates	7207326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N4 Ni O8 S
Calculated formula	C28 H22 N4 Ni O6 S
Title of publication	Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties
Authors of publication	Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	5
Pages of publication	1856
a	24.2834 ± 0.0009 Å
b	20.5803 ± 0.0009 Å
c	12.6997 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6346.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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