Crystallography Open Database

Information card for entry 7210881

Preview

Coordinates	7210881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H152 Mn3 N4 O23
Calculated formula	C126 H140 Mn3 N4 O22
Title of publication	Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers
Authors of publication	Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	42
Pages of publication	8511
a	32.199 ± 0.004 Å
b	17.4926 ± 0.0019 Å
c	23.786 ± 0.003 Å
α	90°
β	115.27 ± 0.02°
γ	90°
Cell volume	12115 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0806
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1808
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180439 (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 7/21/08.	7210881.cif
90140	2013-11-17	cif/ Adding structures of 7210878, 7210879, 7210880, 7210881, 7210882, 7210883 via cif-deposit CGI script.	7210881.cif