Crystallography Open Database

Information card for entry 7125597

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Coordinates	7125597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H78 Cl4 F9 Ir3 N16 O9 S3
Calculated formula	C97 H78 Cl4 F9 Ir3 N16 O9 S3
Title of publication	A trinuclear bright red luminophore containing cyclometallated Ir(III) motifs.
Authors of publication	Chandrasekhar, Vadapalli; Rahaman, S. M. Wahidur; Hajra, Tanima; Das, Dipak; Ghatak, Tapas; Rafiq, Shahnawaz; Sen, Pratik; Bera, Jitendra K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2011
Journal volume	47
Journal issue	38
Pages of publication	10836 - 10838
a	13.693 ± 0.0018 Å
b	16.735 ± 0.002 Å
c	26.001 ± 0.003 Å
α	88.665 ± 0.002°
β	86.297 ± 0.002°
γ	85.269 ± 0.002°
Cell volume	5924.5 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1061
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2224
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
244140 (current)	2019-11-28	cif/ Adding structures of 7125597, 7125598 via cif-deposit CGI script.	7125597.cif