Crystallography Open Database

Information card for entry 7221856

Preview

Coordinates	7221856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 Cr N4 O14
Calculated formula	C21 H25 Cr N4 O14
Title of publication	Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism
Authors of publication	Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza
Journal of publication	RSC Adv.
Year of publication	2015
a	15.097 ± 0.003 Å
b	8.94 ± 0.0017 Å
c	19.597 ± 0.004 Å
α	90°
β	105.171 ± 0.003°
γ	90°
Cell volume	2552.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
153574 (current)	2015-08-21	cif/ Adding structures of 7221856, 7221857, 7221858, 7221859, 7221860 via cif-deposit CGI script.	7221856.cif