Crystallography Open Database

Information card for entry 7037345

Preview

Coordinates	7037345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Cl Ir N4 O
Calculated formula	C32 H32 Cl Ir N4 O
Title of publication	Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes.
Authors of publication	Mazzeo, Giuseppe; Fusè, Marco; Longhi, Giovanna; Rimoldi, Isabella; Cesarotti, Edoardo; Crispini, Alessandra; Abbate, Sergio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	3
Pages of publication	992 - 999
a	10.662 ± 0.003 Å
b	14.595 ± 0.003 Å
c	18.403 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2863.7 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
176040 (current)	2016-02-05	cif/ Updating files of 7037345 Original log message: Adding full bibliography for 7037345.cif.	7037345.cif
170435	2015-11-21	cif/ Adding structures of 7037345 via cif-deposit CGI script.	7037345.cif