Crystallography Open Database

Information card for entry 7229958

Preview

Coordinates	7229958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H100 Mn2 N8 O11 S8
Calculated formula	C90 H100 Mn2 N8 O11 S8
Title of publication	Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation
Authors of publication	Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	8
Pages of publication	1130
a	23.1233 ± 0.0011 Å
b	19.3037 ± 0.001 Å
c	21.8209 ± 0.0012 Å
α	90°
β	106.95 ± 0.002°
γ	90°
Cell volume	9317 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0838
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1586
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
228940 (current)	2019-11-17	cif/ Updating files of 7229954, 7229955, 7229956, 7229957, 7229958, 7229959 Original log message: Adding full bibliography for 7229954--7229959.cif.	7229958.cif
205104	2018-01-12	cif/ Adding structures of 7229954, 7229955, 7229956, 7229957, 7229958, 7229959 via cif-deposit CGI script.	7229958.cif