Crystallography Open Database

Information card for entry 7704621

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Coordinates	7704621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Cr9 Mo24 N18 O128 P2
Calculated formula	C54 H54 Cr9 Mo24 N18 O128 P2
Title of publication	Isostructural mesoporous ionic crystals as a tunable platform for acid catalysis.
Authors of publication	Shimoyama, Yuto; Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	30
Pages of publication	10328 - 10333
a	57.57 ± 0.016 Å
b	24.215 ± 0.007 Å
c	18.769 ± 0.005 Å
α	90°
β	103.351 ± 0.003°
γ	90°
Cell volume	25458 ± 12 Å³
Cell temperature	163 K
Ambient diffraction temperature	163 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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