Crystallography Open Database

Information card for entry 7238331

Preview

Coordinates	7238331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H54 Mn4 N8 O21
Calculated formula	C66 H54 Mn4 N8 O21
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	8.9211 ± 0.0005 Å
b	15.8053 ± 0.0008 Å
c	21.9313 ± 0.0012 Å
α	92.764 ± 0.001°
β	91.575 ± 0.001°
γ	90.407 ± 0.001°
Cell volume	3087.5 ± 0.3 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	0.1403
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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