Crystallography Open Database

Information card for entry 7720986

7720985 << 7720986 >> 7720987

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Coordinates	7720986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 B2 Cs2 O12
Calculated formula	C4 H10 B2 Cs2 O12
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	16.4512 ± 0.0006 Å
b	7.0876 ± 0.0002 Å
c	12.3802 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1443.53 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0212
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.0359
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	7720986.cif
305876	2026-05-05	cif/ Adding structures of 7720985, 7720986, 7720987 via cif-deposit CGI script.	7720986.cif