Crystallography Open Database

Information card for entry 7038120

Preview

Coordinates	7038120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.28 H64.28 B2 Cl6.84 N4 Zn
Calculated formula	C70.28 H64.28 B2 Cl6.84 N4 Zn
Title of publication	Multiple emissive triarylborane-A2H2 and triarylborane-Zn-A2H2 porphyrin conjugates.
Authors of publication	P, Chinna Ayya Swamy; Thilagar, Pakkirisamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	11
Pages of publication	4688 - 4696
a	8.2118 ± 0.001 Å
b	14.887 ± 0.0017 Å
c	15.0508 ± 0.0018 Å
α	68.791 ± 0.006°
β	84.145 ± 0.007°
γ	75.664 ± 0.006°
Cell volume	1661.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1285
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1999
Weighted residual factors for all reflections included in the refinement	0.2321
Goodness-of-fit parameter for all reflections included in the refinement	1.0778
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
181699 (current)	2016-04-05	cif/ Updating files of 7038120 Original log message: Adding full bibliography for 7038120.cif.	7038120.cif
175054	2016-01-26	cif/ Adding structures of 7038120 via cif-deposit CGI script.	7038120.cif