Crystallography Open Database

Information card for entry 7711940

7711939 << 7711940 >> 7711941

Preview

Coordinates	7711940.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	9.8021 ± 0.0007 Å
b	9.8021 ± 0.0007 Å
c	12.812 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1230.99 ± 0.16 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0095
Residual factor for significantly intense reflections	0.0094
Weighted residual factors for significantly intense reflections	0.0245
Weighted residual factors for all reflections included in the refinement	0.0246
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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.	7711940.cif
279896	2022-12-15	cif/ Adding structures of 7711940, 7711941 via cif-deposit CGI script.	7711940.cif