Crystallography Open Database

Information card for entry 7063544

Preview

Coordinates	7063544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B8 Cs1.13 N O16 Rb1.87
Calculated formula	B8 Cs1.131 N O16 Rb1.869
Title of publication	Rb1.87Cs1.13B8O13(NO3): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices
Authors of publication	Liu, Changyou; Liu, Xu; Feng, Qiuyuan; Hou, Ketian; Zhang, Bei; Lu, Juanjuan
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	2
Pages of publication	360 - 365
a	8.7357 ± 0.0004 Å
b	12.7597 ± 0.0006 Å
c	14.3635 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1601.03 ± 0.12 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
299016 (current)	2025-04-05	cif/ Updating files of 7063544 Original log message: Adding full bibliography for 7063544.cif.	7063544.cif
296035	2024-11-21	cif/ Adding structures of 7063544 via cif-deposit CGI script.	7063544.cif