Crystallography Open Database

Information card for entry 7101775

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Coordinates	7101775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 Cl Mn2 N6 O13
Calculated formula	C39 H39 Cl Mn2 N6 O13
Title of publication	A pillared layer MOF with anion-tunable magnetic properties and photochemical [2 + 2] cycloaddition.
Authors of publication	Wang, Xin-Yi; Wang, Zhe-Ming; Gao, Song
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2007
Journal issue	11
Pages of publication	1127 - 1129
a	10.1273 ± 0.0001 Å
b	15.3853 ± 0.0002 Å
c	27.6549 ± 0.0003 Å
α	90°
β	92.722 ± 0.008°
γ	90°
Cell volume	4304.09 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	0.889
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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