Crystallography Open Database

Information card for entry 7711941

7711940 << 7711941 >> 7711942

Preview

Coordinates	7711941.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[acetylenedicarboxylate-κO:O':O'':O'''-(μ-hydroxido-κO:O)indium(III)]
Formula	C4 H In O5
Calculated formula	C4 H In O5
Title of publication	Enhanced sorption in an indium-acetylenedicarboxylate metal-organic framework with unexpected chains of <i>cis</i>-μ-OH-connected {InO<sub>6</sub>} octahedra.
Authors of publication	Woschko, Dennis; Yilmaz, Süheyla; Jansen, Christian; Spieß, Alex; Oestreich, Robert; Matemb Ma Ntep, Tobie J.; Janiak, Christoph
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	977 - 989
a	9.8015 ± 0.0009 Å
b	9.8015 ± 0.0009 Å
c	12.797 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1229.4 ± 0.2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.0131
Residual factor for significantly intense reflections	0.0127
Weighted residual factors for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0336
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
283271 (current)	2023-05-05	cif/ Updating files of 7711940, 7711941 Original log message: Adding full bibliography for 7711940--7711941.cif.	7711941.cif
279896	2022-12-15	cif/ Adding structures of 7711940, 7711941 via cif-deposit CGI script.	7711941.cif