Crystallography Open Database

Information card for entry 7134250

Preview

Coordinates	7134250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 B F N6
Calculated formula	C30 H18 B F N6
Title of publication	Isolating the ring-redox states of boron sub-phthalocyanines.
Authors of publication	Zhou, Wen; McKearney, Declan; Okada, Yusuke; Kobayashi, Nagao; Leznoff, Daniel B.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	19
Pages of publication	3832 - 3835
a	10.8237 ± 0.0007 Å
b	14.3172 ± 0.001 Å
c	16.0555 ± 0.0012 Å
α	90°
β	108.756 ± 0.004°
γ	90°
Cell volume	2355.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298025 (current)	2025-03-04	cif/ Updating files of 7134249, 7134250, 7134251, 7134252 Original log message: Adding full bibliography for 7134249--7134252.cif.	7134250.cif
297666	2025-02-11	cif/ Adding structures of 7134249, 7134250, 7134251, 7134252 via cif-deposit CGI script.	7134250.cif