Crystallography Open Database

Information card for entry 4121517

Preview

Coordinates	4121517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2
Calculated formula	C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2
Title of publication	Small molecule regulation of self-association and catalytic activity in a supramolecular coordination complex.
Authors of publication	McGuirk, C. Michael; Stern, Charlotte L.; Mirkin, Chad A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4689 - 4696
a	10.8806 ± 0.0004 Å
b	13.5311 ± 0.0004 Å
c	20.3845 ± 0.0007 Å
α	83.2982 ± 0.0019°
β	80.3787 ± 0.0018°
γ	68.0669 ± 0.0017°
Cell volume	2739.92 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121517.cif
108214	2014-03-29	cif/ Adding structures of 4121517 via cif-deposit CGI script.	4121517.cif