Crystallography Open Database

Information card for entry 7210879

Preview

Coordinates	7210879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H73 Cd N O10
Calculated formula	C59 H57 Cd O7
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	14.063 ± 0.003 Å
b	28.085 ± 0.006 Å
c	15.736 ± 0.003 Å
α	90°
β	109.45 ± 0.03°
γ	90°
Cell volume	5860 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7210879.cif
90140	2013-11-17	cif/ Adding structures of 7210878, 7210879, 7210880, 7210881, 7210882, 7210883 via cif-deposit CGI script.	7210879.cif