Crystallography Open Database

Information card for entry 1551933

1551932 << 1551933 >> 1551934

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Coordinates	1551933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H66 Cl2 Co Mn3 N12 O16
Calculated formula	C75 H66 Cl2 Co Mn3 N12 O16
Title of publication	Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks
Authors of publication	Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby
Journal of publication	Nature Chemistry
Year of publication	2014
Journal volume	6
Pages of publication	906 - 912
a	12.3989 ± 0.0012 Å
b	33.418 ± 0.003 Å
c	12.9445 ± 0.0016 Å
α	90°
β	98.312 ± 0.011°
γ	90°
Cell volume	5307.2 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1277
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.2419
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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