Crystallography Open Database

Information card for entry 7210882

Preview

Coordinates	7210882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H156 N4 O22 Zn4
Calculated formula	C134 H154 N4 O22 Zn4
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	11.737 ± 0.002 Å
b	17.132 ± 0.003 Å
c	30.875 ± 0.006 Å
α	94.26 ± 0.03°
β	95.75 ± 0.03°
γ	100.9 ± 0.03°
Cell volume	6038 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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.	7210882.cif
90140	2013-11-17	cif/ Adding structures of 7210878, 7210879, 7210880, 7210881, 7210882, 7210883 via cif-deposit CGI script.	7210882.cif