Crystallography Open Database

Information card for entry 7238330

Preview

Coordinates	7238330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Mn2 N2 O10
Calculated formula	C21 H18 Mn2 N2 O10
Title of publication	Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks
Authors of publication	Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4416
a	8.8979 ± 0.0003 Å
b	9.3724 ± 0.0003 Å
c	13.7369 ± 0.0005 Å
α	90.739 ± 0.001°
β	103.451 ± 0.001°
γ	104.086 ± 0.001°
Cell volume	1077.72 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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