Crystallography Open Database

Information card for entry 7118888

Preview

Coordinates	7118888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Au2 Cl2 P2
Calculated formula	C30 H24 Au2 Cl2 P2
Title of publication	Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.
Authors of publication	O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	41
Pages of publication	6769 - 6772
a	15.8107 ± 0.0007 Å
b	12.3314 ± 0.0008 Å
c	10.4704 ± 0.0008 Å
α	90°
β	104.924 ± 0.007°
γ	90°
Cell volume	1972.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation probe	x-ray
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
185105 (current)	2016-08-07	cif/ Updating files of 7118875, 7118876, 7118877, 7118878, 7118879, 7118880, 7118881, 7118882, 7118883, 7118884, 7118885, 7118886, 7118887, 7118888 Original log message: Adding full bibliography for 7118875--7118888.cif.	7118888.cif
178149	2016-03-12	cif/ Adding structures of 7118875, 7118876, 7118877, 7118878, 7118879, 7118880, 7118881, 7118882, 7118883, 7118884, 7118885, 7118886, 7118887, 7118888 via cif-deposit CGI script.	7118888.cif