Crystallography Open Database

Information card for entry 1550665

Preview

Coordinates	1550665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H99 Mn4 N13 O25
Calculated formula	C83 H99 Mn4 N13 O25
Title of publication	Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions
Authors of publication	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff
Journal of publication	Chemical Science
Year of publication	2019
a	10.0867 ± 0.0001 Å
b	15.69 ± 0.0002 Å
c	15.2941 ± 0.0002 Å
α	90°
β	105.464 ± 0.001°
γ	90°
Cell volume	2332.82 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213903 (current)	2019-03-01	cif/ Adding structures of 1550665, 1550666, 1550667, 1550668, 1550669, 1550670, 1550671, 1550672, 1550673, 1550674, 1550675 via cif-deposit CGI script.	1550665.cif