Crystallography Open Database

Information card for entry 7250855

Preview

Coordinates	7250855.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(2,2,2-cryptand)-sodium bis(cyanato)[5,10,15,20-tetraphenylporphyrinato]chromate(III) chloroform solvate
Chemical name	(2,2,2-cryptand)-sodium bis(cyanato)[5,10,15,20-tetraphenylporphyrinato]chromate(III) chloroform solvate
Formula	C64.41 H64.41 Cl1.22 Cr N8 Na O8
Calculated formula	C64.406 H64.406 Cl1.218 Cr N8 Na O8
Title of publication	Synthesis, spectroscopic properties, structural characterization, and computational studies of a new non-centrosymmetric hybrid compound: bis-cyanato-N chromium(iii) meso-arylporphyrin complex
Authors of publication	Dhifet, Mondher; Benzerroug, Nabil; Almutairi, Tahani M.; Alomari, Khadra B.; Tumanov, Nikolay; Issaoui, Noureddine
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	40
Pages of publication	33410 - 33426
a	12.9467 ± 0.0012 Å
b	16.0849 ± 0.0015 Å
c	17.0355 ± 0.0016 Å
α	63.553 ± 0.003°
β	69.614 ± 0.003°
γ	71.15 ± 0.003°
Cell volume	2917.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302131 (current)	2025-09-13	cif/ Adding structures of 7250855 via cif-deposit CGI script.	7250855.cif