Crystallography Open Database

Information card for entry 7720987

7720986 << 7720987 >> 7720988

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Coordinates	7720987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 B O5 Rb
Calculated formula	C2 H3 B O5 Rb
Title of publication	Design of borate-squarate hybrid crystals with large birefringence by synergistic assembly of planar π-conjugated groups.
Authors of publication	Li, Haowen; Wang, Xiao; Chai, Hui; Zhang, Fangfang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	19
Pages of publication	7729 - 7736
a	11.591 ± 0.002 Å
b	7.3534 ± 0.0012 Å
c	8.4758 ± 0.0016 Å
α	90°
β	123.365 ± 0.006°
γ	90°
Cell volume	603.35 ± 0.19 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
306397 (current)	2026-06-05	cif/ Updating files of 7720985, 7720986, 7720987 Original log message: Adding full bibliography for 7720985--7720987.cif.	7720987.cif
305876	2026-05-05	cif/ Adding structures of 7720985, 7720986, 7720987 via cif-deposit CGI script.	7720987.cif