Crystallography Open Database

Information card for entry 7701105

Preview

Coordinates	7701105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.5 H14 Cl N3 O
Calculated formula	C12.5 H14 Cl N3 O
Title of publication	Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.
Authors of publication	Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	37
Pages of publication	14138 - 14155
a	7.9951 ± 0.0013 Å
b	14.758 ± 0.002 Å
c	21.725 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2563.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.1 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
223853 (current)	2019-11-07	cif/ Updating files of 7701086, 7701087, 7701088, 7701089, 7701090, 7701091, 7701092, 7701093, 7701094, 7701095, 7701096, 7701097, 7701098, 7701099, 7701100, 7701101, 7701102, 7701103, 7701104, 7701105, 7701106, 7701107, 7701108 Original log message: Adding full bibliography for 7701086--7701108.cif.	7701105.cif
218112	2019-09-10	cif/ Adding structures of 7701086, 7701087, 7701088, 7701089, 7701090, 7701091, 7701092, 7701093, 7701094, 7701095, 7701096, 7701097, 7701098, 7701099, 7701100, 7701101, 7701102, 7701103, 7701104, 7701105, 7701106, 7701107, 7701108 via cif-deposit CGI script.	7701105.cif