Crystallography Open Database

Information card for entry 7705249

Preview

Coordinates	7705249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H112 B4 N28 O8 W4 Zn
Calculated formula	C116 H112 B4 N28 O8 W4 Zn
Title of publication	Carbyne decorated porphyrins.
Authors of publication	Frogley, Benjamin J.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12390 - 12400
a	12.0635 ± 0.0012 Å
b	14.5979 ± 0.0011 Å
c	24.2222 ± 0.0012 Å
α	80.549 ± 0.005°
β	83.197 ± 0.006°
γ	73.876 ± 0.008°
Cell volume	4030.2 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1318
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.2276
Goodness-of-fit parameter for all reflections included in the refinement	0.932
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257566 (current)	2020-10-06	cif/ Updating files of 7705247, 7705248, 7705249, 7705250 Original log message: Adding full bibliography for 7705247--7705250.cif.	7705249.cif
255578	2020-08-22	cif/ Adding structures of 7705247, 7705248, 7705249, 7705250 via cif-deposit CGI script.	7705249.cif