Crystallography Open Database

Information card for entry 4319198

4319197 << 4319198 >> 4319199

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Coordinates	4319198.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	0001
Formula	C24 H72 Cl7 Ir N12 O7 P4
Calculated formula	C24 H64 Cl7 Ir N12 O7 P4
Title of publication	Synthesis and Characterization of Iridium 1,3,5-Triaza-7-phosphaadamantane (PTA) Complexes. X-ray Crystal and Molecular Structures of [Ir(PTA)4(CO)]Cl and [Ir(PTAH)3(PTAH2)(H)2]Cl6
Authors of publication	Don A. Krogstad; Jason A. Halfen; Tracy J. Terry; Victor G. Young
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	463 - 471
a	12.4432 ± 0.0009 Å
b	12.5921 ± 0.0009 Å
c	16.3231 ± 0.0012 Å
α	76.004 ± 0.001°
β	71.605 ± 0.001°
γ	69.177 ± 0.001°
Cell volume	2244 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179271 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/91.	4319198.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319198.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319198.cif
15930	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319198 via cif-deposit CGI script.	4319198.cif