Crystallography Open Database

Information card for entry 4513503

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Coordinates	4513503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 Mn N6 O6
Calculated formula	C33 H28 Mn N6 O6
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	18.1409 ± 0.0006 Å
b	16.0861 ± 0.0006 Å
c	12.4109 ± 0.0004 Å
α	90°
β	124.807 ± 0.002°
γ	90°
Cell volume	2973.71 ± 0.19 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	0.0408
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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