Crystallography Open Database

Information card for entry 7238829

Preview

Coordinates	7238829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 N8 Ni2 O11
Calculated formula	C44 H42 N8 Ni2 O11
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	18.927 ± 0.0008 Å
b	15.5587 ± 0.0007 Å
c	15.9579 ± 0.0006 Å
α	90°
β	113.848 ± 0.001°
γ	90°
Cell volume	4298.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.2187
Weighted residual factors for all reflections included in the refinement	0.2468
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
244397 (current)	2019-11-28	cif/ Adding structures of 7238827, 7238828, 7238829, 7238830 via cif-deposit CGI script.	7238829.cif