Crystallography Open Database

Information card for entry 7236639

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Coordinates	7236639.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cobalt 5-sulphoisophthalate
Formula	C16 H19 Co3 Na O21 S2
Calculated formula	C16 H13 Co3 Na O21.007 S2
Title of publication	Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)
Authors of publication	Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	45
Pages of publication	23577
a	9.972 ± 0.004 Å
b	11.192 ± 0.005 Å
c	12.679 ± 0.005 Å
α	104.544 ± 0.009°
β	90.078 ± 0.009°
γ	110.086 ± 0.009°
Cell volume	1280.4 ± 0.9 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236373 (current)	2019-11-24	cif/ Adding structures of 7236635, 7236636, 7236637, 7236638, 7236639 via cif-deposit CGI script.	7236639.cif