Crystallography Open Database

Information card for entry 1551931

1551930 << 1551931 >> 1551932

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Coordinates	1551931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H72 Cl0 I2 Mn3 N13 O14 Rh
Calculated formula	C80 H72 I1.5 Mn3 N13 O14 Rh
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	12.3582 ± 0.0005 Å
b	33.9509 ± 0.0015 Å
c	12.9507 ± 0.0006 Å
α	90°
β	99.89 ± 0.004°
γ	90°
Cell volume	5353 ± 0.4 Å³
Cell temperature	105 ± 8 K
Ambient diffraction temperature	105 ± 8 K
Number of distinct elements	8
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	0.1706
Residual factor for significantly intense reflections	0.1076
Weighted residual factors for significantly intense reflections	0.2892
Weighted residual factors for all reflections included in the refinement	0.3271
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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