Crystallography Open Database

Information card for entry 7248385

Preview

Coordinates	7248385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H57 K2 N13 Ni2 O18
Calculated formula	C83 H57 K2 N13 Ni2 O18
Title of publication	Nitro group and K±based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors
Authors of publication	Mendoza-Báez, Raúl; Molina-Renteria, Alan; Olguín, Juan
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	18
Pages of publication	2346 - 2352
a	15.761 ± 0.0011 Å
b	14.5644 ± 0.0009 Å
c	36.558 ± 0.003 Å
α	90°
β	97.921 ± 0.002°
γ	90°
Cell volume	8311.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1076
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
292975 (current)	2024-07-05	cif/ Updating files of 7248384, 7248385 Original log message: Adding full bibliography for 7248384--7248385.cif.	7248385.cif
291101	2024-04-06	cif/ Adding structures of 7248384, 7248385 via cif-deposit CGI script.	7248385.cif