Crystallography Open Database

Information card for entry 7241598

Preview

Coordinates	7241598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 Cd N5 O5
Calculated formula	C33 H31 Cd N5 O5
Title of publication	AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence
Authors of publication	Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	1
Pages of publication	35 - 39
a	10.1575 ± 0.001 Å
b	30.064 ± 0.003 Å
c	13.2675 ± 0.0009 Å
α	90°
β	130.775 ± 0.005°
γ	90°
Cell volume	3068.2 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0636
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
261595 (current)	2021-02-05	cif/ Updating files of 7241598, 7241599, 7242009, 7242010 Original log message: Adding full bibliography for 7241598--7242010.cif.	7241598.cif
259323	2020-11-29	cif/ Adding structures of 7241598, 7241599 via cif-deposit CGI script.	7241598.cif