Crystallography Open Database

Information card for entry 7125598

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Coordinates	7125598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H24 F3 Ir N6 O3 S
Calculated formula	C35 H24 F3 Ir N6 O3 S
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	8.6494 ± 0.0008 Å
b	31.08 ± 0.003 Å
c	12.1964 ± 0.0011 Å
α	90°
β	94.251 ± 0.002°
γ	90°
Cell volume	3269.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0662
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7125598.cif