Crystallography Open Database

Information card for entry 7045015

Preview

Coordinates	7045015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H75 Cl Ir P Sn
Calculated formula	C62 H75 Cl Ir P Sn
SMILES	[Ir]1234([Sn](Cl)(c5c([P]1(c1ccccc1)c1ccccc1)cccc5)c1c(c5c(C(C)C)cc(C(C)C)cc5C(C)C)cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
Title of publication	Coordination chemistry of stannylene-based Lewis pairs - insertion into M-Cl and M-C bonds. From base stabilized stannylenes to bidentate ligands.
Authors of publication	Krebs, K. M.; Freitag, S.; Maudrich, J.-J.; Schubert, H.; Sirsch, P.; Wesemann, L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	47
Journal issue	1
Pages of publication	83 - 95
a	15.7017 ± 0.0004 Å
b	15.4093 ± 0.0004 Å
c	22.9954 ± 0.0005 Å
α	90°
β	108.607 ± 0.001°
γ	90°
Cell volume	5273 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
229380 (current)	2019-11-17	cif/ Updating files of 7045009, 7045010, 7045011, 7045012, 7045013, 7045014, 7045015, 7045016 Original log message: Adding full bibliography for 7045009--7045016.cif.	7045015.cif
204174	2017-12-12	cif/ Adding structures of 7045009, 7045010, 7045011, 7045012, 7045013, 7045014, 7045015, 7045016 via cif-deposit CGI script.	7045015.cif