Crystallography Open Database

Information card for entry 7049648

Preview

Coordinates	7049648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cd Cl3 N O
Calculated formula	C4 H12 Cd Cl3 N O
Title of publication	Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.
Authors of publication	Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	19
Pages of publication	6621 - 6626
a	10.0482 ± 0.0005 Å
b	14.6113 ± 0.0007 Å
c	6.8335 ± 0.0003 Å
α	90°
β	95.511 ± 0.004°
γ	90°
Cell volume	998.64 ± 0.08 Å³
Cell temperature	413 ± 2 K
Ambient diffraction temperature	413 ± 2 K
Number of distinct elements	6
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	0.0438
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
224181 (current)	2019-11-08	cif/ Updating files of 7049642, 7049643, 7049644, 7049645, 7049646, 7049647, 7049648 Original log message: Adding full bibliography for 7049642--7049648.cif.	7049648.cif
214594	2019-04-11	cif/ Adding structures of 7049642, 7049643, 7049644, 7049645, 7049646, 7049647, 7049648 via cif-deposit CGI script.	7049648.cif