Crystallography Open Database

Information card for entry 7210878

Preview

Coordinates	7210878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H155 Cd3 N3 O25
Calculated formula	C129 H151 Cd3 N3 O25
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	29.716 ± 0.006 Å
b	18.584 ± 0.004 Å
c	22.937 ± 0.005 Å
α	90°
β	109.3 ± 0.03°
γ	90°
Cell volume	11955 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0664
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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.	7210878.cif
90140	2013-11-17	cif/ Adding structures of 7210878, 7210879, 7210880, 7210881, 7210882, 7210883 via cif-deposit CGI script.	7210878.cif