Crystallography Open Database

Information card for entry 7221857

Preview

Coordinates	7221857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 Cr N8 O13
Calculated formula	C26 H31 Cr N8 O13
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	18.761 ± 0.0018 Å
b	8.3037 ± 0.0008 Å
c	18.9883 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2958.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	7221857.cif