Crystallography Open Database

Information card for entry 7238830

Preview

Coordinates	7238830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 Cd2 N8 O12
Calculated formula	C45 H44 Cd2 N8 O12
Title of publication	Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer
Authors of publication	Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9798
a	13.5733 ± 0.0005 Å
b	15.9205 ± 0.0007 Å
c	20.8014 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4495.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.401
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
244397 (current)	2019-11-28	cif/ Adding structures of 7238827, 7238828, 7238829, 7238830 via cif-deposit CGI script.	7238830.cif