Crystallography Open Database

Information card for entry 8105476

Preview

Coordinates	8105476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H30 K N6 O2 S2
Calculated formula	C35 H30 K N6 O2 S2
Title of publication	Crystal structure of catena{(μ2-1,10-phenanthroline-κ4 N,N,N′,N′)-(μ2-1,10-phenanthroline-κ3 N,N,N′)potassium(I) {[bis(2-hydroxyethyl)iminiumyl](sulfanidyl)methyl}sulfanide hemi(1,10-phenanthroline)}, {C24H16KN4, 0.5(C12H8N2), C5H10NO2S2}
Authors of publication	Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1395 - 1397
a	32.8001 ± 0.0004 Å
b	7.1562 ± 0.0001 Å
c	26.04 ± 0.0003 Å
α	90°
β	94.385 ± 0.001°
γ	90°
Cell volume	6094.32 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.032
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
276182 (current)	2022-06-23	cif/ Adding structures of 8105476 via cif-deposit CGI script.	8105476.cif