Crystallography Open Database

Information card for entry 7717805

Preview

Coordinates	7717805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Hg I2 N4 O2
Calculated formula	C12 H14 Hg I2 N4 O2
Title of publication	Controlling pseudopolymorphism <i>via</i> robust and repetitive solvent-containing supramolecular interactions in urea-based isostructural coordination polymers.
Authors of publication	Khorshidi, Ghazale; Notash, Behrouz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	9
Pages of publication	3759 - 3773
a	9.1437 ± 0.0018 Å
b	10.043 ± 0.002 Å
c	19.926 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1829.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1596
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
298925 (current)	2025-04-05	cif/ Updating files of 7717803, 7717804, 7717805, 7717806, 7717807, 7717808 Original log message: Adding full bibliography for 7717803--7717808.cif.	7717805.cif
297280	2025-01-11	cif/ Adding structures of 7717803, 7717804, 7717805, 7717806, 7717807, 7717808 via cif-deposit CGI script.	7717805.cif