Crystallography Open Database

Information card for entry 7719216

7719215 << 7719216 >> 7719217

Preview

Coordinates	7719216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Bi I5 N2
Calculated formula	C12 H20 Bi I5 N2
Title of publication	Chiral organic hybrids for nonlinear optical applications and solvent-induced reversible red-yellow color change.
Authors of publication	Yu, Hongli; Hao, Ruibin; Zhao, Dong; Chi, Lingyu; Zhao, Xianlong; Cui, Yibo; Liu, Kunjie; Zhao, Jing; Liu, Quanlin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	30
Pages of publication	11638 - 11643
a	8.3592 ± 0.0002 Å
b	27.2586 ± 0.0008 Å
c	9.7291 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2216.87 ± 0.11 Å³
Cell temperature	99.98 ± 0.1 K
Ambient diffraction temperature	99.98 ± 0.1 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
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
301447 (current)	2025-08-04	cif/ Adding structures of 7719215, 7719216, 7719217, 7719218, 7719219, 7719220 via cif-deposit CGI script.	7719216.cif