Crystallography Open Database

Information card for entry 1570786

Preview

Coordinates	1570786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 Ag F15 P
Calculated formula	C22 H27 Ag F15 P
SMILES	[Ag]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1(C(=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
Title of publication	Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.
Authors of publication	Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	8
Pages of publication	2990 - 2995
a	9.4791 ± 0.0008 Å
b	10.7301 ± 0.0009 Å
c	14.7059 ± 0.0013 Å
α	90.169 ± 0.003°
β	90.23 ± 0.003°
γ	116.097 ± 0.003°
Cell volume	1343.2 ± 0.2 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
290112 (current)	2024-03-04	cif/ Updating files of 1570785, 1570786, 1570787 Original log message: Adding full bibliography for 1570785--1570787.cif.	1570786.cif
289100	2024-01-17	cif/ Adding structures of 1570785, 1570786, 1570787 via cif-deposit CGI script.	1570786.cif