Crystallography Open Database

Information card for entry 4516566

Preview

Coordinates	4516566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H34 Cd N4 O7
Calculated formula	C59 H34 Cd N4 O7
SMILES	C1(=[O][Cd]23([n]4cccc5c4c4c(cc5)ccc[n]24)([n]2c4c(ccc5ccc[n]3c45)ccc2)(O1)OC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1)c1c2ccc3c4c2c(cc1)ccc4ccc3.O.O.OC
Title of publication	Luminescent Metal‒Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing
Authors of publication	Haldar, Ritesh; Prasad, Komal; Samanta, Pralok Kumar; Pati, Swapan; Maji, Tapas Kumar
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	16
Journal issue	1
Pages of publication	82
a	11.4286 ± 0.0008 Å
b	12.8633 ± 0.001 Å
c	17.841 ± 0.0013 Å
α	110.488 ± 0.004°
β	104.772 ± 0.004°
γ	91.007 ± 0.004°
Cell volume	2359.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	0.884
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
231382 (current)	2019-11-22	cif/ Adding structures of 4516566, 4516567 via cif-deposit CGI script.	4516566.cif