Crystallography Open Database

Information card for entry 1514590

Preview

Coordinates	1514590.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	npm023
Chemical name	npm023
Formula	C37 H59 Au B Cl4 F4 N2 P
Calculated formula	C37 H59 Au B Cl4 F4 N2 P
SMILES	C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au][PH](C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-]
Title of publication	Preparation and reactivity of terminal gold(i) amides and phosphides
Authors of publication	Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	3
Pages of publication	1023
a	11.9915 ± 0.0006 Å
b	12.2396 ± 0.0006 Å
c	16.7165 ± 0.0009 Å
α	96.555 ± 0.001°
β	108.386 ± 0.001°
γ	105.096 ± 0.001°
Cell volume	2195.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514590.cif
110191	2014-04-18	cif/ Adding structures of 1514584, 1514585, 1514586, 1514587, 1514588, 1514589, 1514590 via cif-deposit CGI script.	1514590.cif