Crystallography Open Database

Information card for entry 7709786

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Coordinates	7709786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 F6 N4 O8 P Sb
Calculated formula	C56 H54 F6 N4 O8 P Sb
Title of publication	Antimony(+5) Ion Induced Tunable Intramolecular Charge Transfer in Hypervalent Antimony(V) Porphyrins
Authors of publication	Holzer, Noah; Sharma, Jatan K.; Peterson, Steven; Bayard, Brandon J.; Nesterov, Vladimir; Karr, Paul A.; D'Souza, Francis; Poddutoori, Prashanth K.
Journal of publication	Dalton Transactions
Year of publication	2022
a	30.6284 ± 0.0007 Å
b	10.7528 ± 0.0001 Å
c	20.9262 ± 0.0005 Å
α	90°
β	132.011 ± 0.004°
γ	90°
Cell volume	5120.8 ± 0.4 Å³
Cell temperature	219.99 ± 0.11 K
Ambient diffraction temperature	219.99 ± 0.11 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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