Crystallography Open Database

Information card for entry 4003389

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Coordinates	4003389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 Cl7 N9 Nd2 O18
Calculated formula	C41 H46 Cl7 N9 Nd2 O18
Title of publication	Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand
Authors of publication	Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	18
Pages of publication	6575
a	13.89 ± 0.0002 Å
b	23.0192 ± 0.0004 Å
c	18.1488 ± 0.0003 Å
α	90°
β	98.162 ± 0.002°
γ	90°
Cell volume	5744.06 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
231563 (current)	2019-11-22	cif/ Adding structures of 4003389 via cif-deposit CGI script.	4003389.cif