Crystallography Open Database

Information card for entry 7238828

Preview

Coordinates	7238828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H80 N12 Ni3 O27
Calculated formula	C74 H80 N12 Ni3 O27
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	13.0719 ± 0.0006 Å
b	15.3456 ± 0.0006 Å
c	21.2185 ± 0.0009 Å
α	94.012 ± 0.002°
β	106.478 ± 0.002°
γ	106.321 ± 0.002°
Cell volume	3864.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1691
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.2334
Weighted residual factors for all reflections included in the refinement	0.2976
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	7238828.cif