Crystallography Open Database

Information card for entry 4130629

Preview

Coordinates	4130629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H76 B6 Co2 F24 N19 O0.5
Calculated formula	C92 H76 B6 Co2 F24 N19 O0.5
Title of publication	Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.
Authors of publication	Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	29
Pages of publication	9308 - 9315
a	15.00712 ± 0.0002 Å
b	16.8669 ± 0.0002 Å
c	20.439 ± 0.0003 Å
α	73.1727 ± 0.0012°
β	68.6423 ± 0.0012°
γ	80.3164 ± 0.0011°
Cell volume	4600.53 ± 0.12 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0584
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241022 (current)	2019-11-25	cif/ Adding structures of 4130629 via cif-deposit CGI script.	4130629.cif