Crystallography Open Database

Information card for entry 8103087

Preview

Coordinates	8103087.cif

Structure parameters

Formula	C30 H48 Ir2 N2 O12
Calculated formula	C30 H48 Ir2 N2 O12
Title of publication	Crystal structure of amminebis(acetylacetonato-κ2O,O')-(diacetylmethanido-κC)iridium(III), Ir(NH3)(C5H7O2)3
Authors of publication	Qiao-Wen Chang; Chang-Yi Hu; Zai-Fu Pan; Jia-Lin Chen; Qing-Song Ye; Xi-Zhu Chen; Yao Yu; Wei-Ping Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	87
a	7.9494 ± 0.001 Å
b	8.0955 ± 0.001 Å
c	16.143 ± 0.002 Å
α	89.888 ± 0.001°
β	78.378 ± 0.001°
γ	61.607 ± 0.001°
Cell volume	889.84 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0554
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.297
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103087.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103087.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103087.cif
29002	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103087 via cif-deposit CGI script.	8103087.cif