Crystallography Open Database

Information card for entry 4513504

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Coordinates	4513504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Mn N6 O7
Calculated formula	C30 H28 Mn N6 O7
Title of publication	Direct Guest Exchange Induced Single-Crystal to Single-Crystal Transformation Accompanying Irreversible Crystal Expansion in Soft Porous Coordination Polymers
Authors of publication	Ho, Tzu-Yan; Huang, Sheng-Ming; Wu, Jing-Yun; Hsu, Kung-Chung; Lu, Kuang-Lieh
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	9
Pages of publication	4266
a	18.882 ± 0.005 Å
b	14.835 ± 0.005 Å
c	12.602 ± 0.005 Å
α	90 ± 0.005°
β	124.801 ± 0.005°
γ	90 ± 0.005°
Cell volume	2898.6 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1558
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	0.731
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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