Crystallography Open Database

Information card for entry 7718346

Preview

Coordinates	7718346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H42 Co N7 O18 P
Calculated formula	C22 H41 Co N7 O18 P
Title of publication	Enhancements of the first and second hyperpolarizability of a GMP coordination polymer: crystal structure and computational studies.
Authors of publication	Ilyas, Mubashar; Khan, Maroof Ahmad; Xiong, Lin; Zhang, Li; Lauqman, Muhammad; Abbas, Muhammad; Zohaib, Hafiz Muhammad; Manurkar, Nagesh; Li, Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	14
Pages of publication	5921 - 5934
a	6.958 ± 0.003 Å
b	10.085 ± 0.004 Å
c	13.585 ± 0.005 Å
α	69.395 ± 0.019°
β	85.236 ± 0.016°
γ	89.796 ± 0.017°
Cell volume	888.9 ± 0.6 Å³
Cell temperature	284.07 K
Ambient diffraction temperature	284.07 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
300893 (current)	2025-07-06	cif/ Updating files of 7718346 Original log message: Adding full bibliography for 7718346.cif.	7718346.cif
298486	2025-03-18	cif/ Adding structures of 7718346 via cif-deposit CGI script.	7718346.cif