Crystallography Open Database

Information card for entry 7705155

Preview

Coordinates	7705155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H27 Cl F6 Ir N7 O0.5 P
Calculated formula	C32.5 H27 Cl F6 Ir N7 O0.5 P
Title of publication	Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.
Authors of publication	Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	12025 - 12036
a	19.438 ± 0.003 Å
b	16.341 ± 0.003 Å
c	21.309 ± 0.004 Å
α	90°
β	106.081 ± 0.003°
γ	90°
Cell volume	6504 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.076
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	0.833
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
294326 (current)	2024-09-02	cif/7: Fixing some Z values and formulae	7705155.cif
256105	2020-09-06	cif/ Updating files of 7705149, 7705150, 7705151, 7705152, 7705153, 7705154, 7705155, 7705156 Original log message: Adding full bibliography for 7705149--7705156.cif.	7705155.cif
255307	2020-08-14	cif/ Adding structures of 7705149, 7705150, 7705151, 7705152, 7705153, 7705154, 7705155, 7705156 via cif-deposit CGI script.	7705155.cif