Crystallography Open Database

Information card for entry 4345510

Preview

Coordinates	4345510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 Cd N9 P
Calculated formula	C15 H22 Cd N9 P
Title of publication	Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.
Authors of publication	Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	6
Pages of publication	3238 - 3244
a	10.498 ± 0.008 Å
b	16.5 ± 0.003 Å
c	15.763 ± 0.009 Å
α	90°
β	128.04 ± 0.002°
γ	90°
Cell volume	2150 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.14553
Residual factor for significantly intense reflections	0.13489
Weighted residual factors for significantly intense reflections	0.3423
Weighted residual factors for all reflections included in the refinement	0.3447
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
194808 (current)	2017-04-04	cif/ Updating files of 4345510, 4345511, 4345512 Original log message: Adding full bibliography for 4345510--4345512.cif.	4345510.cif
194006	2017-03-07	cif/ Adding structures of 4345510 via cif-deposit CGI script.	4345510.cif