Crystallography Open Database

Information card for entry 7045481

Preview

Coordinates	7045481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 B F2 N4
Calculated formula	C38 H35 B F2 N4
Title of publication	Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.
Authors of publication	Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	10
Pages of publication	3388 - 3399
a	11.9721 ± 0.0011 Å
b	14.8594 ± 0.0013 Å
c	17.2769 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3073.5 ± 0.5 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1619
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229235 (current)	2019-11-17	cif/ Updating files of 7045479, 7045480, 7045481, 7045482 Original log message: Adding full bibliography for 7045479--7045482.cif.	7045481.cif
206000	2018-02-01	cif/ Adding structures of 7045479, 7045480, 7045481, 7045482 via cif-deposit CGI script.	7045481.cif