Crystallography Open Database

Information card for entry 7134252

Preview

Coordinates	7134252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C527 H294 B18 K18 N108 O45
Calculated formula	C527 H294 B18 K18 N108 O45
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	27.0235 ± 0.0007 Å
b	27.0235 ± 0.0007 Å
c	21.5015 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	13598.2 ± 1 Å³
Cell temperature	150.03 K
Ambient diffraction temperature	150.03 K
Number of distinct elements	6
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.25
Residual factor for significantly intense reflections	0.1432
Weighted residual factors for significantly intense reflections	0.3614
Weighted residual factors for all reflections included in the refinement	0.4416
Goodness-of-fit parameter for all reflections included in the refinement	1.27
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7134252.cif
297666	2025-02-11	cif/ Adding structures of 7134249, 7134250, 7134251, 7134252 via cif-deposit CGI script.	7134252.cif