Crystallography Open Database

Information card for entry 7226609

Preview

Coordinates	7226609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 N2 O8 Tb
Calculated formula	C42 H26 N2 O8 Tb
Title of publication	Coexistence of self- and interpenetration in two (3,6)-connected porous coordination polymers
Authors of publication	Yao, Qingxia; Fan, Yerong; Wang, Zhan; Duan, Wenzeng; Wang, Suna; Li, Yunwu; Li, Dacheng; Zhang, Qingfu; Du, Yuchang; Dou, Jianmin
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	44
Pages of publication	8574
a	21.8891 ± 0.0018 Å
b	9.107 ± 0.0008 Å
c	32.038 ± 0.003 Å
α	90°
β	124.121 ± 0.002°
γ	90°
Cell volume	5287.2 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
190090 (current)	2017-01-09	cif/ Updating files of 7226609 Original log message: Adding full bibliography for 7226609.cif.	7226609.cif
186729	2016-09-23	cif/ Adding structures of 7226609 via cif-deposit CGI script.	7226609.cif