Crystallography Open Database

Information card for entry 7153562

Preview

Coordinates	7153562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C153 H154 Cl14 Ir4 N8 O12
Calculated formula	C153 H154 Cl14 Ir4 N8 O12
Title of publication	Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.
Authors of publication	Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	2
Pages of publication	286 - 297
a	24.9384 ± 0.0019 Å
b	12.5149 ± 0.0009 Å
c	26.26 ± 0.002 Å
α	90°
β	111.146 ± 0.002°
γ	90°
Cell volume	7643.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.189
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180321 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/35.	7153562.cif
105693	2014-03-12	cif/ Adding structures of 7153562, 7153563, 7153564 via cif-deposit CGI script.	7153562.cif