Crystallography Open Database

Information card for entry 7216846

Preview

Coordinates	7216846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H49 Mn3 N5 O20
Calculated formula	C57 H45 Mn3 N5 O20
Title of publication	Ligand geometry-directed assembly of seven entangled coordination polymers
Authors of publication	Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6354
a	13.226 ± 0.008 Å
b	19.61 ± 0.013 Å
c	23.292 ± 0.015 Å
α	90°
β	101.312 ± 0.007°
γ	90°
Cell volume	5924 ± 7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216846.cif
118221	2014-06-27	cif/ Adding structures of 7216844, 7216845, 7216846, 7216847, 7216848, 7216849, 7216850 via cif-deposit CGI script.	7216846.cif