Crystallography Open Database

Information card for entry 7045479

Preview

Coordinates	7045479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 B2 F2 N4 O
Calculated formula	C38 H37 B2 F2 N4 O
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	23.237 ± 0.002 Å
b	10.5234 ± 0.001 Å
c	12.0981 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2958.4 ± 0.5 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
229235 (current)	2019-11-17	cif/ Updating files of 7045479, 7045480, 7045481, 7045482 Original log message: Adding full bibliography for 7045479--7045482.cif.	7045479.cif
206000	2018-02-01	cif/ Adding structures of 7045479, 7045480, 7045481, 7045482 via cif-deposit CGI script.	7045479.cif