Crystallography Open Database

Information card for entry 7121371

Preview

Coordinates	7121371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Br4 N2 O4 Zn2
Calculated formula	C16 H16 Br4 N2 O4 Zn2
Title of publication	An inorganic-organic hybrid photochromic material with fast response to hard and soft X-rays at room temperature.
Authors of publication	Guo, Pei-Yu; Sun, Cai; Zhang, Ning-Ning; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	36
Pages of publication	4525 - 4528
a	6.849 ± 0.002 Å
b	12.673 ± 0.004 Å
c	13.419 ± 0.004 Å
α	78.619 ± 0.013°
β	86.759 ± 0.015°
γ	86.386 ± 0.017°
Cell volume	1138.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1985
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
228490 (current)	2019-11-17	cif/ Updating files of 7121371 Original log message: Adding full bibliography for 7121371.cif.	7121371.cif
206871	2018-03-10	cif/ Adding structures of 7121371 via cif-deposit CGI script.	7121371.cif