Crystallography Open Database

Information card for entry 7719879

7719878 << 7719879 >> 7719880

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Coordinates	7719879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 Br N5 O3 Re
Calculated formula	C14 H9 Br N5 O3 Re
Title of publication	Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue
Authors of publication	Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano
Journal of publication	Dalton Transactions
Year of publication	2025
a	6.87749 ± 0.00003 Å
b	11.42838 ± 0.00006 Å
c	19.41606 ± 0.00009 Å
α	90°
β	92.111 ± 0.0004°
γ	90°
Cell volume	1525.04 ± 0.013 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
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	0.0206
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303284 (current)	2025-11-13	cif/ Adding structures of 7719877, 7719878, 7719879, 7719880, 7719881, 7719882, 7719883, 7719884 via cif-deposit CGI script.	7719879.cif