Crystallography Open Database

Information card for entry 7211181

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Coordinates	7211181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 Mn3 N4 O21
Calculated formula	C64 H54 Mn3 N4 O21
Title of publication	Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands
Authors of publication	Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	41
Pages of publication	8320
a	47.138 ± 0.012 Å
b	75.02 ± 0.02 Å
c	10.521 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	37205 ± 17 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.124
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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