Crystallography Open Database

Information card for entry 8107275

Preview

Coordinates	8107275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cd3 I2 N4 O8
Calculated formula	C36 H36 Cd3 I2 N4 O8
SMILES	[Cd]1234([O]5[Cd]6789[O]1%10[Cd]1%11(I)([N](=Cc%12cccc(OC)c%12%10)CC[N]2=Cc2cccc(OC)c2[O]461)[O]9c1c([O]%11C)cccc1C=[N]7CC[N]8=Cc1cccc([O]3C)c15)I
Title of publication	Crystal structure of diiodido-bis(6,6′-dimethoxy-2,2′-(ethane-1,2-diylbis(nitrilomethanylylidene)) diphenolato)tricadmium(II), C36H36Cd3I2N4O8
Authors of publication	Hu, Jin; Lu, Xin-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	6
Pages of publication	997 - 999
a	18.909 ± 0.004 Å
b	16.149 ± 0.003 Å
c	26.05 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7955 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.335
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284092 (current)	2023-05-31	cif/ Adding structures of 8107275 via cif-deposit CGI script.	8107275.cif